Reprotonate.cc File Reference

Class to add hydrogens to a ResidueType. More...

#include <core/chemical/modifications/Reprotonate.hh>
#include <core/chemical/MutableResidueType.hh>
#include <core/chemical/ResidueGraphTypes.hh>
#include <core/chemical/Elements.hh>
#include <core/chemical/ElementSet.hh>
#include <core/chemical/gasteiger/GasteigerAtomTyper.hh>
#include <core/chemical/modifications/ValenceHandler.hh>
#include <core/chemical/residue_support.hh>
#include <core/chemical/atomtype_support.hh>
#include <core/chemical/bond_support.hh>
#include <basic/Tracer.hh>

Namespaces
	core
	A class for reading in the atom type properties.
	core::chemical
	core::chemical::modifications

Functions
static basic::Tracer	core::chemical::modifications::TR ("core.chemical.modifications.Reprotonate")
std::string	core::chemical::modifications::get_new_hydrogen_name (MutableResidueType &res)
	Comes up with a new name for a hydrogen to add. (One that isn't used.) More...
core::Size	core::chemical::modifications::add_hydrogens_to_atom (MutableResidueType &res, VD atom_vd)
	Add hydrogens to the given Atom, based on existing geometry and Gasteiger atom type Returns the number of hydrogens added. More...

Detailed Description

Class to add hydrogens to a ResidueType.

Author

Rocco Moretti (rmore.nosp@m.ttia.nosp@m.se@gm.nosp@m.ail..nosp@m.com)